Skip to content

Research at St Andrews

Silsesquioxane dendrimers as catalysts: A bite-sized molecular dynamics study

Research output: Contribution to journalArticlepeer-review

DOI

Author(s)

School/Research organisations

Abstract

A method of calculating the bite (P-M-P) angle for dendritic ligands is reported. Diphenylphosphine terminated dendritic ligands were modified with either a single rhodium or a rhodium complex [HRh(CO)(2)] and molecular dynamics techniques used to run simulations to determine the dynamic bite angle (beta(d)) as a time averaged property. The effects of changing the composition of the dendritic branches is investigated and comparison with experimental hydroformylation data reveals that the dendrimer with the highest linear: branched ratio also has a dynamic bite angle closest to the theoretical ideal value of 120 degrees.

Close

Details

Original languageEnglish
Pages (from-to)3415-3420
Number of pages6
JournalDalton Transactions
Issue number31
DOIs
Publication statusPublished - 2007

    Research areas

  • HOMOGENEOUS CATALYSIS, FUNCTIONALIZED DENDRIMERS, STERIC PROPERTIES, HYDROFORMYLATION, PHOSPHINE, LIGANDS, DIPHOSPHINES, SELECTIVITY, COMPLEXES, ANGLES

Discover related content
Find related publications, people, projects and more using interactive charts.

View graph of relations

Related by author

  1. Synthesis of hybrid dendritic molecules with diazaphospholidine oxide grafted at the surface of octavinylsilsesquioxane (OVS)

    Cheng, G., Slawin, A. M. Z., Vautravers, N. R., Andre, P., Morris, R. E., Samuel, I. D. W. & Cole-Hamilton, D., 2011, In: Organic & Biomolecular Chemistry. 9, 4, p. 1189-1200 12 p.

    Research output: Contribution to journalArticlepeer-review

  2. COLL 423-Hybrid organic-inorganic photoluminescent POSS dentritic materials: Chromophore confinement

    Andre, P., Cheng, G., Ruseckas, A., Vautravers, N., van Mourik, T., Fruchtl, H., Crayston, J. A., Morris, R. E., Cole-Hamilton, D. & Samuel, I. D. W., 16 Aug 2009, In: Abstracts of Papers of the American Chemical Society. 238, p. - 1 p.

    Research output: Contribution to journalAbstractpeer-review

  3. Multifaceted study of the interactions between CPO-27-Ni and polyurethane and their impact on nitric oxide release performance

    Vornholt, S. M., Duncan, M. J., Warrender, S. J., Semino, R., Ramsahye, N. A., Maurin, G., Smith, M. W., Tan, J-C., Miller, D. N. & Morris, R. E., 30 Dec 2020, In: ACS Applied Materials & Interfaces. 12, 52, p. 58263-58276

    Research output: Contribution to journalArticlepeer-review

  4. First experimental evidence for a bis-ethene chromium(I) complex forming from an activated ethene oligomerization catalyst

    Chabbra, S., Smith, D. M., Bell, N. L., Watson, A. J. B., Buehl, M., Cole-Hamilton, D. J. & Bode, B. E., 18 Dec 2020, In: Science Advances. 6, 51, 7 p., eabd7057.

    Research output: Contribution to journalArticlepeer-review

  5. Antibacterial efficacy from NO-releasing MOF–polymer films

    Duncan, M. J., Wheatley, P. S., Coghill, E. M., Vornholt, S. M., Warrender, S. J., Megson, I. L. & Morris, R. E., 7 Oct 2020, In: Materials Advances. 1, 7, p. 2509-2519 11 p.

    Research output: Contribution to journalArticlepeer-review

Related by journal

  1. Dalton Transactions (Journal)

    Finlay Morrison (Reviewer)

    2011 → …

    Activity: Publication peer-review and editorial work typesPeer review of manuscripts

Related by journal

  1. Dicerium letterbox-shaped tetraphenolates: f-block complexes designed for two-electron chemistry

    Arnold, P. L., Wang, K., Gray, S. J., Moreau, L. M., Booth, C. H., Curcio, M., Wells, J. A. L. & Slawin, A. M. Z., 21 Jan 2020, In: Dalton Transactions. 49, 3, p. 877-884 8 p.

    Research output: Contribution to journalArticlepeer-review

  2. Structural diversity of lead halide chain compounds, APbX3, templated by isomeric molecular cations

    Guo, Y-Y. & Lightfoot, P., 27 Aug 2020, In: Dalton Transactions. 49, 36, p. 12767-12775 9 p.

    Research output: Contribution to journalArticlepeer-review

  3. Structural variations in (001)-oriented layered lead halide perovskites templated by 1,2,4-triazolium

    Guo, Y-Y., Yang, L-J., McNulty, J. A., Slawin, A. M. Z. & Lightfoot, P., 10 Nov 2020, In: Dalton Transactions. In press

    Research output: Contribution to journalArticlepeer-review

  4. Variable dimensionality in 'hollow' hybrid tin iodide perovskites

    McNulty, J. A., Slawin, A. M. Z. & Lightfoot, P., 26 Oct 2020, In: Dalton Transactions. Advance Articles

    Research output: Contribution to journalArticlepeer-review

  5. A hybrid fluoride layered perovskite, (enH2)MnF4

    Li, T., Clulow, R., Bradford, A., Lee, S. L., Slawin, A. M. Z. & Lightfoot, P., 21 Apr 2019, In: Dalton Transactions. 48, 15, p. 4784-4787 4 p.

    Research output: Contribution to journalArticlepeer-review

ID: 650458

Top